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Piperazin-1-carbaldehyd
piperazine-1-carbaldehyde · 1-FORMYLPIPERAZINE · 1-PIPERAZINECARBOXALDEHYDE · 1-Formylpiperazin · Formylpiperazine · N-FORMYLPIPERAZINE · N-FORMY PIPERAZINE · 1-Formylpiperazine>LABOTEST-BB LT00233197
Identifikatoren & physikalische Daten
| CAS No. | 7755-92-2 |
|---|---|
| Summenformel | C5H10N2O |
| Durchschnittliche Molmasse | 114,15 g/mol |
| Monoisotopische Masse | 114,07931294 g/mol |
| SMILES | O=CN1CCNCC1 |
| InChIKey | MSSDTZLYNMFTKN-UHFFFAOYSA-N |
| PubChem CID | 82191 |
| ChEBI | CHEBI:151031 |
| EC No. | 231-813-0 |
| DTXSID | DTXSID1064790 |
| Lokaler Name | Piperazin-1-carbaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | -0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 32,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 78,5 |
| Schmelzpunkt | 88-91 |
| Siedepunkt | 264-266 °C |
| Dichte | 1.107 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.512 |
| Flammpunkt | 215 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 8.58±0.10(Predicted) |
| Wichte | 1.107 |
| Farbe | Clear colorless to yellow |
| BRN | 110295 |
| InChI | 1S/C5H10N2O/c8-5-7-3-1-6-2-4-7/h5-6H,1-4H2 |
| InChIKey | MSSDTZLYNMFTKN-UHFFFAOYSA-N |
| SMILES | [H]C(=O)N1CCNCC1 |
| CAS Datenbank | 7755-92-2(CAS DataBase Reference) |
| NIST chemische Informationen | 1-Piperazinecarboxaldehyde(7755-92-2) |
| EPA chemische Informationen | 1-Piperazinecarboxaldehyde (7755-92-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2.1% (1 of 48) of reports.DangerH302 (87.5%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (87.5%) |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29335990 |
| R-Sätze (R) | 22-37/38-41-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
1-Formylpiperazine is sutable for use as a test compound in the kinetic study of the reaction of 4-nitrophenyl 2-thiophenecarboxylate with secondary alicyclic amines.